SCHEMBL899423

SCHEMBL899423

OCc1cncn1-c1c(F)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.35
CYP11B1 P15538 3/20 0.35
TBXAS1 P24557 2/20 0.33
TDO2 P48775 3/20 0.32
NOS1 P29475 3/20 0.31
IDO1 P14902 2/20 0.31
NOTUM Q6P988 1/20 0.31
MAPK14 Q16539 2/20 0.31
POLB P06746 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10872204 0.77 CYP2C19 (0.38) CYP11B2CYP11B1NOS1
SCHEMBL4833974 0.74 CYP11B1 (0.44) CYP11B2CYP11B1NOS1
SCHEMBL2359179 0.73 NOS1 (0.52) CYP11B2CYP11B1TDO2NOS1NOTUM
SCHEMBL27905454 0.70 GABRA5 (0.33) TDO2IDO1HTR1AHTR7HTR6
SCHEMBL899141 0.69 ERN1 (0.34) CYP11B2CYP11B1TDO2IDO1
SCHEMBL6928773 0.69 CYP11B1 (0.48) CYP11B2CYP11B1POLB
Hydrochloric Acid SCHEMBL7657123 0.68 CYP11B1 (0.47) CYP11B2CYP11B1POLB
SCHEMBL9473672 0.68 NOTUM (0.43) CYP11B2CYP11B1TDO2NOS1IDO1
SCHEMBL898835 0.67 GABRA1 (0.50) CYP11B2CYP11B1
SCHEMBL24013546 0.67 CYP11B1 (0.36) CYP11B2CYP11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130143929-A1 FUNGICIDAL IMIDAZOLES CYP1A1, CYP1B1, CYP2E1 CYP11B2 114/4885CYP11B1 86/4885TBXAS1 531/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.